LMFA01010022
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0014    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7159    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1448    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8593    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5738    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2882    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0026    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2882    7.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    5.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 21 23  2  0  0  0  0
 24 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA01010022

> <COMMON_NAME>
Behenic acid

> <SYSTEMATIC_NAME>
docosanoic acid

> <FORMULA>
C22H44O2

> <MASS>
340.33

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Straight chain fatty acids [FA0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C22:0

> <INCHI_KEY>
UKMSUNONTOPOIO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)

> <SMILES>
C(CCCCCCCCCCCCC(=O)O)CCCCCCCC

> <KEGG_ID>
C08281

> <HMDB_ID>
HMDB0000944

> <CHEBI_ID>
28941

> <ABBREVIATION>
FA 22:0

> <CAYMAN_ID>
9000338

> <SWISSLIPIDS_ID>
SLM:000000827

> <PUBCHEM_COMPOUND_ID>
8215

> <LIPIDBANK_ID>
DFA0022

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Docosanoids [FA04]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
20671299

$$$$